Geometry & MOs

Info

ID:	352704
PubChem CID:	127283793
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	337.091869
ΔH_f, kcal/mol:	-11.24
Dipole, Da:	4.35
IP(EA), eV:	-8.71(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(1-oxo-1,4-thiazinan-4-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NN(C(=C2)NC(=O)CN3CCS(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations